(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine

C17H21N — CID 43149143

IUPAC(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21N/c1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15/h5-10,17H,18H2,1-4H3
InChIKeyKDSZZEMVBWZNRU-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds2

About (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine

(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine (PubChem CID 43149143) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
PubChem CID43149143
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21N/c1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15/h5-10,17H,18H2,1-4H3
InChIKeyKDSZZEMVBWZNRU-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 55256587
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine (CID 43149143) is (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2ccc(C)c(C)c2)c1.
What is the InChIKey of (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is KDSZZEMVBWZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15/h5-10,17H,18H2,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine?
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 43149143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).